Prediction of infinite-dilution activity coefficients with neural collaborative filtering was written by Tan, Tian;Cheng, Hongye;Chen, Guzhong;Song, Zhen;Qi, Zhiwen. And the article was included in AIChE Journal in 2022.Related Products of 84-61-7 This article mentions the following:
Accurate prediction of infinite dilution activity coefficient (绾?sup>閳?/sup>) for phase equilibrium and process design is crucial. In this work, an exptl. 绾?sup>閳?/sup> dataset containing 295 solutes and 407 solvents (21,048 points) is obtained through data integrating, cleaning, and filtering. The dataset is arranged as a sparse matrix with solutes and solvents as columns and rows, resp. Neural collaborative filtering (NCF), a modern matrix completion technique based on deep learning, is proposed to fully fill in the 绾?sup>閳?/sup> matrix. Ten-fold cross-validation is performed on the collected dataset to test the effectiveness of the proposed NCF, proving that NCF outperforms the state-of-the-art phys. model and previous machine learning model. The completed 绾?sup>閳?/sup> matrix makes solvent screening and extension of UNIFAC parameters possible. Taking two typical hard-to-sep. systems (benzene/cyclohexane and Me cyclopentane/n-hexane mixtures) as examples, the NCF-developed database provides high-throughput screening for separation systems in terms of solvent selectivity and capacity. In the experiment, the researchers used many compounds, for example, Dicyclohexyl phthalate (cas: 84-61-7Related Products of 84-61-7).
Dicyclohexyl phthalate (cas: 84-61-7) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is 绾?valerolactone.Related Products of 84-61-7
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics